SCHEMBL12355331

SCHEMBL12355331

COC(=O)NNC(=O)c1cc(N)cc(C)c1NC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ccccc1Cl

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 12/20 0.33
SLC16A1 P53985 11/20 0.33
PDE4B Q07343 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
IDH1 O75874 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12242853 0.90 SLC16A3 (0.34) SLC16A3SLC16A1
SCHEMBL11928337 0.89 P2RX7 (0.32) MEN1KMT2AIDH1
SCHEMBL11928613 0.88 CNR2 (0.33) SLC16A3SLC16A1MEN1KMT2AIDH1
SCHEMBL13349748 0.84 MEN1 (0.32) SLC16A3SLC16A1MEN1KMT2AIDH1
SCHEMBL13090573 0.84 CNR2 (0.34) SLC16A3SLC16A1MEN1KMT2AIDH1
SCHEMBL10150902 0.83 KDM4E (0.33) SLC16A3SLC16A1MEN1KMT2AIDH1
SCHEMBL10089920 0.83 SMN1; SMN2 (0.36)
SCHEMBL13085480 0.83 CNR2 (0.33) SLC16A3SLC16A1MEN1KMT2A
SCHEMBL12291975 0.83 DHODH (0.34) SLC16A3SLC16A1PDE4B
SCHEMBL13085512 0.82 NPC1 (0.35) SLC16A3SLC16A1MEN1KMT2AIDH1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011098408-A2 HYDRAZINE-SUBSTITUTED ANTHRANILIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-08-18 WO disclosed